UCSF

ZINC32133555

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 3.7 -5.26 1 4 0 38 286.375 6
Lo Low (pH 4.5-6) 2.21 6.25 -35.94 2 4 1 39 287.383 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )